General Information of the Compound
| Compound ID |
CP0444188
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| Compound Name |
2-piperazin-1-yl-N-(4-propan-2-ylphenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H25N5
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| Molecular Weight |
347.466
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| Canonical SMILES |
CC(C)c1ccc(Nc2nc(nc3ccccc23)N2CCNCC2)cc1
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| InChI |
InChI=1S/C21H25N5/c1-15(2)16-7-9-17(10-8-16)23-20-18-5-3-4-6-19(18)24-21(25-20)26-13-11-22-12-14-26/h3-10,15,22H,11-14H2,1-2H3,(H,23,24,25)
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| InChIKey |
UVXRGQNZIJPPOS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound